./iterations/neb1_max2_image01_iter116_OSZICAR.out output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.278247579821E+03 0.27825E+03 -0.14306E+04 384 0.704E+02
DAV: 2 0.291592078111E+02 -0.24909E+03 -0.24137E+03 528 0.135E+02
DAV: 3 -0.441989235062E+02 -0.73358E+02 -0.61802E+02 532 0.656E+01
DAV: 4 -0.574166974241E+02 -0.13218E+02 -0.99089E+01 568 0.239E+01
DAV: 5 -0.589126123968E+02 -0.14959E+01 -0.14041E+01 568 0.881E+00 0.262E+01
DAV: 6 -0.117207945819E+03 -0.58295E+02 -0.67506E+02 656 0.427E+01 0.478E+01
DAV: 7 -0.541611088051E+02 0.63047E+02 -0.60140E+01 552 0.169E+01 0.279E+01
DAV: 8 -0.466561403496E+02 0.75050E+01 -0.32356E+01 560 0.139E+01 0.246E+01
DAV: 9 -0.436116627297E+02 0.30445E+01 -0.60103E+00 664 0.601E+00 0.232E+01
DAV: 10 -0.407738364200E+02 0.28378E+01 -0.30871E+01 688 0.377E+00 0.194E+01
DAV: 11 -0.449963413709E+02 -0.42225E+01 -0.34019E+01 640 0.782E+00 0.313E+01
DAV: 12 -0.426671790102E+02 0.23292E+01 -0.13604E+01 640 0.480E+00 0.206E+01
DAV: 13 -0.401982245392E+02 0.24690E+01 -0.32939E+00 656 0.347E+00 0.180E+01
DAV: 14 -0.401298471802E+02 0.68377E-01 -0.36555E+00 672 0.222E+00 0.237E+01
DAV: 15 -0.398726248864E+02 0.25722E+00 -0.56124E+00 648 0.156E+00 0.214E+01
DAV: 16 -0.396481601109E+02 0.22446E+00 -0.19705E+00 619 0.143E+00 0.145E+01
DAV: 17 -0.395562474106E+02 0.91913E-01 -0.48322E+00 672 0.179E+00 0.167E+01
DAV: 18 -0.399753514329E+02 -0.41910E+00 -0.13290E+00 634 0.137E+00 0.183E+01
DAV: 19 -0.397680788903E+02 0.20727E+00 -0.59309E-01 657 0.109E+00 0.179E+01
DAV: 20 -0.393508427493E+02 0.41724E+00 -0.32061E-01 649 0.619E-01 0.137E+01
DAV: 21 -0.390703732375E+02 0.28047E+00 -0.12357E+00 642 0.101E+00 0.693E+00
DAV: 22 -0.391083109007E+02 -0.37938E-01 -0.24958E-01 520 0.827E-01 0.762E+00
DAV: 23 -0.392135833576E+02 -0.10527E+00 -0.11947E-01 656 0.521E-01 0.102E+01
DAV: 24 -0.390854438724E+02 0.12814E+00 -0.12033E-01 621 0.354E-01 0.714E+00
DAV: 25 -0.390831454014E+02 0.22985E-02 -0.63909E-02 640 0.287E-01 0.807E+00
DAV: 26 -0.390836013479E+02 -0.45595E-03 -0.24178E-03 404 0.178E-01 0.764E+00
DAV: 27 -0.390575833353E+02 0.26018E-01 -0.49828E-02 672 0.208E-01 0.530E+00
DAV: 28 -0.390270822437E+02 0.30501E-01 -0.13793E-01 624 0.361E-01 0.122E+00
DAV: 29 -0.390475586019E+02 -0.20476E-01 -0.13360E-02 397 0.303E-01 0.127E+00
DAV: 30 -0.390773923603E+02 -0.29834E-01 -0.16289E-01 656 0.271E-01 0.508E+00
DAV: 31 -0.390522957251E+02 0.25097E-01 -0.95287E-02 656 0.285E-01 0.236E+00
DAV: 32 -0.390515854150E+02 0.71031E-03 -0.42210E-03 524 0.158E-01 0.140E+00
DAV: 33 -0.390530186653E+02 -0.14333E-02 -0.10173E-02 648 0.118E-01 0.774E-01
DAV: 34 -0.390574483074E+02 -0.44296E-02 -0.45316E-03 392 0.130E-01 0.943E-01
DAV: 35 -0.390558606172E+02 0.15877E-02 -0.35289E-03 468 0.880E-02 0.300E-01
DAV: 36 -0.390570007460E+02 -0.11401E-02 -0.19573E-03 475 0.693E-02 0.564E-01
DAV: 37 -0.390569276175E+02 0.73129E-04 -0.20500E-03 416 0.479E-02 0.342E-01
DAV: 38 -0.390570482827E+02 -0.12067E-03 -0.19843E-04 390 0.448E-02 0.184E-01
DAV: 39 -0.390571219054E+02 -0.73623E-04 -0.32063E-05 303 0.139E-02 0.127E-01
DAV: 40 -0.390571813519E+02 -0.59447E-04 -0.12004E-04 210 0.141E-02 0.783E-02
DAV: 41 -0.390572171786E+02 -0.35827E-04 -0.20328E-05 196 0.137E-02 0.600E-02
DAV: 42 -0.390572287131E+02 -0.11535E-04 -0.28045E-05 188 0.662E-03 0.160E-02
DAV: 43 -0.390572510661E+02 -0.22353E-04 -0.25596E-05 188 0.687E-03 0.985E-02
DAV: 44 -0.390572429452E+02 0.81208E-05 -0.27383E-05 230 0.709E-03
1 F= -.39057243E+02 E0= -.38950223E+02 d E =-.321060E+00